2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide

C20H26N2O3 — CID 2031189

IUPAC2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCC(C)(C)C(=O)N(Cc1cc2ccccc2[nH]c1=O)C[C@@H]1CCCO1
InChIInChI=1S/C20H26N2O3/c1-20(2,3)19(24)22(13-16-8-6-10-25-16)12-15-11-14-7-4-5-9-17(14)21-18(15)23/h4-5,7,9,11,16H,6,8,10,12-13H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyMDVFYVZMWBVRAP-INIZCTEOSA-N
MW342.44 g/mol
LogP3.08
Rot. Bonds4

About 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide

2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide (PubChem CID 2031189) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
PubChem CID2031189
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCC(C)(C)C(=O)N(Cc1cc2ccccc2[nH]c1=O)C[C@@H]1CCCO1
InChIInChI=1S/C20H26N2O3/c1-20(2,3)19(24)22(13-16-8-6-10-25-16)12-15-11-14-7-4-5-9-17(14)21-18(15)23/h4-5,7,9,11,16H,6,8,10,12-13H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyMDVFYVZMWBVRAP-INIZCTEOSA-N
XLogP3.08
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide
CID 4887568
2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1445627
(2R)-N-(2-methoxyethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 2036915
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1077957
4-bromo-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25414652
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 1459162
2-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 3194117
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 3151688
4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1077959
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 1077992
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 1458849
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3,3-diethyl-1-(oxolan-2-ylmethyl)urea
CID 3216643

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide (CID 2031189) is 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide is CC(C)(C)C(=O)N(Cc1cc2ccccc2[nH]c1=O)C[C@@H]1CCCO1.
What is the InChIKey of 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The InChIKey is MDVFYVZMWBVRAP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-20(2,3)19(24)22(13-16-8-6-10-25-16)12-15-11-14-7-4-5-9-17(14)21-18(15)23/h4-5,7,9,11,16H,6,8,10,12-13H2,1-3H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide?
2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide has a molecular weight of 342.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide is sourced from PubChem (CID 2031189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).